N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline

C12H10BrCl2NO — CID 104653070

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C12H10BrCl2NO/c1-7(10-5-6-11(13)17-10)16-12-8(14)3-2-4-9(12)15/h2-7,16H,1H3
InChIKeyZUNASAQDAQVORZ-UHFFFAOYSA-N
MW335.03 g/mol
LogP5.52
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline

N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline (PubChem CID 104653070) has the molecular formula C12H10BrCl2NO and a molecular weight of 335.03 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
PubChem CID104653070
Molecular FormulaC12H10BrCl2NO
Molecular Weight335.03 g/mol
Exact Mass332.93
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C12H10BrCl2NO/c1-7(10-5-6-11(13)17-10)16-12-8(14)3-2-4-9(12)15/h2-7,16H,1H3
InChIKeyZUNASAQDAQVORZ-UHFFFAOYSA-N
XLogP5.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.03
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 113437463
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine
CID 104652307
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline
CID 130177836
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 104652267
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
CID 114049353

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline (CID 104653070) is N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline is CC(Nc1c(Cl)cccc1Cl)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline?
The InChIKey is ZUNASAQDAQVORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NO/c1-7(10-5-6-11(13)17-10)16-12-8(14)3-2-4-9(12)15/h2-7,16H,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline has a molecular weight of 335.03 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline is sourced from PubChem (CID 104653070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).